2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid

C15H23N3O4 — CID 122062569

IUPAC2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCOCCNC(=O)c1ccc(NC(CC(C)C)C(=O)O)nc1
InChIInChI=1S/C15H23N3O4/c1-10(2)8-12(15(20)21)18-13-5-4-11(9-17-13)14(19)16-6-7-22-3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyCXIDKIBAUAHWBB-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.37
Rot. Bonds9

About 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid

2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (PubChem CID 122062569) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
PubChem CID122062569
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
SMILESCOCCNC(=O)c1ccc(NC(CC(C)C)C(=O)O)nc1
InChIInChI=1S/C15H23N3O4/c1-10(2)8-12(15(20)21)18-13-5-4-11(9-17-13)14(19)16-6-7-22-3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyCXIDKIBAUAHWBB-UHFFFAOYSA-N
XLogP1.37
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid (CID 122062569) is 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is COCCNC(=O)c1ccc(NC(CC(C)C)C(=O)O)nc1.
What is the InChIKey of 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
The InChIKey is CXIDKIBAUAHWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(2)8-12(15(20)21)18-13-5-4-11(9-17-13)14(19)16-6-7-22-3/h4-5,9-10,12H,6-8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid?
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid has a molecular weight of 309.37 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122062569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).